Bromo-PEG4-t-butyl ester - ≥98% , CAS No.564476-32-0

CAS: 564476-32-0 Cat. No.: B596660 Formule: C₁₅H₂₉BrO₆ Poids moléculaire: 385.29 PubChem CID: 12082266

GRADE & PURITY ≥98%

Synonyms

tert-Butyl 1-bromo-3,6,9,12-tetraoxapentadecan-15-oate | Br-PEG4-C2-Boc

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

Bromo-PEG4-t-butyl ester is a PEG derivative containing a bromide group and a t-butyl protected carboxyl group. The hydrophilic PEG spacer increases solubility in aqueous media. The bromide (Br) is a very good leaving group for nucleophilic substitution reactions. The t-butyl protected carboxyl group can be deprotected under acidic conditions.

Specifications

Synonymes

tert-Butyl 1-bromo-3,6,9,12-tetraoxapentadecan-15-oate | Br-PEG4-C2-Boc

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%

Noms et identifiants

Pubchem Sid

508817348

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508817348

Sourires canoniques

CC(C)(C)OC(=O)CCOCCOCCOCCOCCBr

IUPAC Name

tert-butyl 3-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]propanoate

InChIKey

WLKHUFASPMJBHB-UHFFFAOYSA-N

INCHI

1S/C15H29BrO6/c1-15(2,3)22-14(17)4-6-18-8-10-20-12-13-21-11-9-19-7-5-16/h4-13H2,1-3H3

Isomères SMILES

CC(C)(C)OC(=O)CCOCCOCCOCCOCCBr

PubChem CID

12082266

Poids moléculaire

385.29

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Carboxylic acid esters
• Alternative Parents: Monocarboxylic acids and derivatives Dialkyl ethers Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl bromides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Carboxylic acid ester - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl bromide - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as carboxylic acid esters. These are carboxylic acid derivatives in which the carbon atom from the carbonyl group is attached to an alkyl or an aryl moiety through an oxygen atom (forming an ester group).
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propriétés chimiques et physiques

• Solubilité: Solubility in DMSO, DCM, DMF
• Poids moléculaire: 385.290 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 16
• Exact Mass: 384.115 Da
• Monoisotopic Mass: 384.115 Da
• Topological Polar Surface Area: 63.200 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 267.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1